SCHEMBL11701973

SCHEMBL11701973

C[Si](C)(c1ccccc1)N1CCCCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
ELANE P08246 1/20 0.35
TSHR P16473 2/20 0.34
MITF O75030 1/20 0.33
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7677471 0.74 BRD4 (0.39) ALDH1A1MAPTHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL17645580 0.74 BRD4 (0.39) ALDH1A1MAPTHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL6964192 0.72 BRD4 (0.41) ALDH1A1MAPTHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL20499842 0.70 CYP2B6 (0.36) ALDH1A1MAPTHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL28346284 0.70 NPC1 (0.41) ALDH1A1MAPTHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL17645571 0.69 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL1626841 0.66 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL329316 0.66 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL1178246 0.65 BRD4 (0.48) ALDH1A1HSD17B10L3MBTL1GAATSHR
SCHEMBL29552661 0.65 ESR1 (0.38) ALDH1A1MAPTHSD17B10SMN1; SMN2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4038470-A METHOD FOR PREPARATION OF POLYMERS WHICH CONTAIN N-ACYLLACTAM GROUPS CESKOSLOVENSKA AKADEMIE VED (CS) 1977-07-26 US disclosed